Information card for entry 7239215

Structure parameters

• Formula: C16 H17 N4 O P
• Calculated formula: C16 H17 N4 O P
• Title of publication: P-oxidation of gem-dicationic phosphines
• Authors of publication: Maaliki, Carine; Canac, Yves; Lepetit, Christine; Duhayon, Carine; Chauvin, Remi
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 43
• Pages of publication: 20391
• a: 15.458 ± 0.0003 Å
• b: 9.54826 ± 0.00016 Å
• c: 20.432 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3015.7 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for all reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections included in the refinement: 0.0425
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9638
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No